SCHEMBL25836393

SCHEMBL25836393

COc1nc(C(=O)N2CCC(F)(F)CC2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 15/20 0.47
▸ SCN9A Q15858 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ PKLR P30613 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26647348 0.82 NPC1 (0.48) HPGDLRRK2
SCHEMBL30828960 0.82 NPC1 (0.48) HPGDLRRK2
SCHEMBL21500077 0.74 ROCK2 (0.40) CNR2SCN9A
SCHEMBL15652305 0.73 KDM4E (0.51) HPGDGAALRRK2
SCHEMBL15962052 0.71 KDM4E (0.51) —
SCHEMBL4651223 0.70 MAPK1 (0.43) HPGDGAA
SCHEMBL31512136 0.70 MAPK1 (0.43) HPGDGAA
SCHEMBL20254519 0.69 TDP1 (0.61) —
SCHEMBL21961311 0.68 NR2E1 (0.39) SCN9AHPGD
SCHEMBL20918860 0.67 KDM4A (0.39) CNR2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137356-A1 15-PGDH INHIBITORS VENTYX BIOSCIENCES, INC. (US) 2023-07-20 — — WO disclosed
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